Magnesium in PDB 3dur: Crystal Structure of SAG173-04

The structure of Crystal Structure of SAG173-04, PDB code: 3dur was solved by C.L.Brooks, R.J.Blackler, S.Gerstenbruch, P.Kosma, S.Muller-Loennies, H.Brade, S.V.Evans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.760, 72.190, 85.130, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 24.7

The binding sites of Magnesium atom in the Crystal Structure of SAG173-04 (pdb code 3dur). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of SAG173-04, PDB code: 3dur:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SAG173-04


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of SAG173-04 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg107 b:17.9 occ:1.00 O A:HOH313 2.1 15.1 1.0 O A:HOH335 2.1 15.5 1.0 OE1 A:GLN79 2.1 15.4 1.0 O A:HOH388 2.2 18.4 1.0 O A:HOH332 2.3 17.1 1.0 O A:HOH357 2.4 16.0 1.0 CD A:GLN79 3.2 17.9 1.0 NE2 A:GLN79 3.7 19.9 1.0 OE1 A:GLU81 4.0 14.7 1.0 OE2 A:GLU81 4.4 19.5 1.0 CG A:GLN79 4.5 17.1 1.0 CD A:GLU81 4.6 20.9 1.0 O A:HOH342 4.6 28.9 1.0 CB A:GLN79 4.8 16.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SAG173-04


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of SAG173-04 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg108 b:26.6 occ:1.00 O C:HOH153 2.1 26.9 1.0 OE1 C:GLN79 2.1 20.7 1.0 O C:HOH217 2.1 16.7 1.0 O A:HOH331 2.2 17.7 1.0 O A:HOH321 2.3 20.4 1.0 CD C:GLN79 3.2 26.4 1.0 NE2 C:GLN79 3.8 20.8 1.0 OE1 C:GLU81 3.8 15.6 1.0 O B:HOH166 3.9 28.8 1.0 O C:HOH129 3.9 16.7 1.0 OE2 C:GLU81 4.1 19.8 1.0 OD1 B:ASP100D 4.2 15.7 1.0 O A:HOH363 4.3 21.5 1.0 CD C:GLU81 4.4 20.8 1.0 OE2 A:GLU55 4.4 18.1 1.0 O C:HOH164 4.4 33.1 1.0 CG C:GLN79 4.5 18.8 1.0 OG A:SER56 4.5 19.8 1.0 OE1 A:GLU55 4.5 17.1 1.0 NH2 B:ARG94 4.6 16.4 1.0 CB C:GLN79 4.7 17.5 1.0 O B:HOH142 4.7 27.6 1.0 CD A:GLU55 4.9 19.5 1.0

C.L.Brooks, R.J.Blackler, S.Gerstenbruch, P.Kosma, S.Muller-Loennies, H.Brade, S.V.Evans. Pseudo-Symmetry and Twinning in Crystals of Homologous Antibody Fv Fragments. Acta Crystallogr.,Sect.D V. 64 1250 2008.
ISSN: ISSN 0907-4449
PubMed: 19018101
DOI: 10.1107/S0907444908033453